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Chemical ID: 5789206
Chemical ID:
5789206
Name [?]:
None
SMILES [?]:
COc1ccccc1c2cc(=O)c3c4ccccc4ccc3o2
InChi [?]:
InChI=1/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,6,5,18,15,7,4,20,21,10,19,14,8,11,3,22,9,13,12,2,23/rA:23nCOCCCCCCCCCOCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s9s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11409 |
Area: | 476.963 |
Solvation: | -3.80997 |
Coulombic: | -25.2409 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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